Structure Database (LMSD)

Common Name
5S,9S-Dimethylheptadecane
Systematic Name
5S,9S-Dimethylheptadecane
Synonyms
LM ID
LMFA11000026
Formula
C19H40
Exact Mass
Calculate m/z
268.313
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
NAZZVMQIBMVGND-OALUTQOASA-N
InChi (Click to copy)
InChI=1S/C19H40/c1-5-7-9-10-11-12-15-19(4)17-13-16-18(3)14-8-6-2/h18-19H,5-17H2,1-4H3/t18-,19-/m0/s1
SMILES (Click to copy)
CCCC[C@H](C)CCC[C@@H](C)CCCCCCCC

Other Databases

PubChem CID
10563865

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 337.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.37
Molar Refractivity 89.70

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Created at
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Updated at
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